EVODEX Logo

EVODEX.1-P1839

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:69]([C:68]([C:67]([C:66]([C:65]([N:64]([C:62](=[N:61][H:125])[N:63]([H:112])[H:113])[H:124])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])[H:114]>>[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[N:69]([C:68]([C:67]([C:66]([C:65]([N:64]([C:62](=[N:61][H:125])[N:63]([H:112])[H:113])[H:124])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])[H:114]):C([H]):C:1O[H]

Derived Operators

EVODEX.1-F205 - Elemental Balance

C9
O3
H6

EVODEX.1-M129 - Mass Difference

162.03168

EVODEX.1-E909 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:62]-[#7:63](-[H:112])-[H]>>[#6](=[#8])(-[#6](=[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[#8]-[H]):[#6]:1-[H])-[H])-[H])-[#7:63](-[#6:62])-[H:112]

EVODEX.1-C290 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:69]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#7:69]):[#6](-[H]):[#6]:1-[#8]-[H]

EVODEX.1-N329 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:69](-[#6:68])-[H:114]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#7:69](-[#6:68])-[H:114]):[#6](-[H]):[#6]:1-[#8]-[H]

EVODEX.1-Em59 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:69]-[#6:68]>>[#6]=[#6]-[#6](=[#8])-[#7:69]-[#6:68]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm4 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

Source Full Reactions

EVODEX.1-R2535

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:70])([H:71])[H:72])([C:4]([O:5][P:6](=[O:7])([O:8][H:73])[O:9][P:10](=[O:11])([O:12][H:74])[O:13][C:14]([C@@:15]1([H:75])[O:16][C@:17]([N:18]2:[C:19]([H:76]):[N:20]:[C:21]3:[C:22]([N:23]([H:77])[H:78]):[N:24]:[C:25]([H:79]):[N:26]:[C:27]:2:3)([H:80])[C@@:28]([O:29][H:81])([H:82])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:83])[O:35][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])[C@@:36]([O:37][H:90])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:49](=[O:50])[C:51](=[C:52]([C:53]1:[C:54]([H:91]):[C:55]([H:92]):[C:56]([O:57][H:93]):[C:58]([O:59][H:94]):[C:60]:1[H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])[H:102])([H:103])[H:104])([H:105])[H:106])[H:107])[H:108])([H:109])([H:110])[H:111].[H][N:69]([C:68]([C:67]([C:66]([C:65]([N:64]([C:62](=[N:61][H:125])[N:63]([H:112])[H:113])[H:124])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])[H:114]>>[C:49](=[O:50])([C:51](=[C:52]([C:53]1:[C:54]([H:91]):[C:55]([H:92]):[C:56]([O:57][H:93]):[C:58]([O:59][H:94]):[C:60]:1[H:95])[H:96])[H:97])[N:69]([C:68]([C:67]([C:66]([C:65]([N:64]([C:62](=[N:61][H:125])[N:63]([H:112])[H:113])[H:124])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])[H:114].[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:109])([H:110])[H:111])([C:3]([H:70])([H:71])[H:72])[C:4]([O:5][P:6](=[O:7])([O:8][H:73])[O:9][P:10](=[O:11])([O:12][H:74])[O:13][C:14]([C@@:15]1([H:75])[O:16][C@:17]([N:18]2:[C:19]([H:76]):[N:20]:[C:21]3:[C:22]([N:23]([H:77])[H:78]):[N:24]:[C:25]([H:79]):[N:26]:[C:27]:2:3)([H:80])[C@@:28]([O:29][H:81])([H:82])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:83])[O:35][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([O:37][H:90])[H:108])=[O:39])[H:107])([H:105])[H:106])([H:103])[H:104])=[O:44])[H:102])([H:100])[H:101])([H:98])[H:99]